CID 3583354

1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H9Cl2NO3
SMILES
C1C(CN(C1=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H9Cl2NO3/c12-7-2-8(13)4-9(3-7)14-5-6(11(16)17)1-10(14)15/h2-4,6H,1,5H2,(H,16,17)
InChIKey
GPHFWWLZHYCCJC-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.99594 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.00322 154.9
[M+Na]+ 295.98516 165.1
[M-H]- 271.98866 158.9
[M+NH4]+ 291.02976 172.5
[M+K]+ 311.95910 159.3
[M+H-H2O]+ 255.99320 149.8
[M+HCOO]- 317.99414 165.6
[M+CH3COO]- 332.00979 192.1
[M+Na-2H]- 293.97061 154.5
[M]+ 272.99539 156.4
[M]- 272.99649 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe